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Building carbon nanotube models

In this quick tutorial, we will show you how to easily generate carbon nanotube (CNT) models within SAMSON.

Multi-walled carbon nanotube

Nanotube creator#

Carbon nanotubes (CNT) can be generated in SAMSON using the Nanotube Creator SAMSON Extension. If you don't have it installed, log in on SAMSON Connect and install it from the Markeplace.

The Nanotube Creator provides an editor, i.e. a tool that responds to mouse and keyboard events, that allows you to create carbon nanotubes with two mouse clicks.

In SAMSON, only one editor is active at any time, so you first need to activate the nanotube creator editor via the left-side menu in the viewport ... > Materials > Nanotube creator or using the search box in the top-right corner of SAMSON or simply search for it in the top search bar (Shift+E).

Building nanotubes#

You have two main ways to create nanotubes:

  • interactively in the viewport with the mouse,
  • with the nanotube creator graphical interface.

Interactive nanotubes building#

You can interactively build nanotubes in the viewport in two steps:

  1. Set the nanotube axis and length (n parameter): press and drag the left mouse button inside the viewport: Nanotube creation in the viewport - step 1 During this step, the status bar gives you some information about the current structure, e.g.: Status
  2. Set the nanotube radius (m parameters):
    1. release the left mouse button,
    2. move the mouse to change m,
    3. click the left mouse button again to accept Nanotube creation in the viewport - step 2

Make sure you check the status bar during this step as well to precisely choose the n and m parameters.

Building nanotubes using graphical interface#

If you want to precisely control the axis position, length, and radius, thenthe best option might be to directly enter parameters in the editor's interface.

To show the editor's interface (if it is not already visible), activate the editor. You should see the following:

Building nanotube using graphical interface

Note: selecting an editor alternatively shows and hides its GUI.

Using the GUI, you may easily create multi-walled nanotubes. For example, try (0, 0, 0) and (40, 0, 0) for the beginning and end positions of the nanotube's axis, respectively, to produce a nanotube with length of 40 Å. Then:

  1. Set n and m to 6. Click Build.
  2. Set n and m to 10. Click Build.
  3. Set n and m to 14. Click Build.

This will produce the multi-walled nanotube below: Multi-walled carbon nanotube

To go further#

Now that you know how to produce nanotubes models, you may want to produce images of them for publications, or interactively simulate nanotubes with the Brenner potential to build more complex objects.

Have fun, and don't hesitate to use the SAMSON forum if you have any questions!